Mol:FL7AAGGL0050
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 65 71 0 0 0 0 0 0 0 0999 V2000 | + | 65 71 0 0 0 0 0 0 0 0999 V2000 |
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| − | 2.0847 1.3766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0847 1.3766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.1079 -4.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1079 -4.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 26 18 1 0 0 0 0 | + | 26 18 1 0 0 0 0 |
| − | 33 29 1 0 0 0 0 | + | 33 29 1 0 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
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| − | 37 36 1 1 0 0 0 | + | 37 36 1 1 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 34 1 0 0 0 0 | + | 39 34 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 34 42 1 0 0 0 0 | + | 34 42 1 0 0 0 0 |
| − | 35 43 1 0 0 0 0 | + | 35 43 1 0 0 0 0 |
| − | 36 44 1 0 0 0 0 | + | 36 44 1 0 0 0 0 |
| − | 37 20 1 0 0 0 0 | + | 37 20 1 0 0 0 0 |
| − | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
| − | 46 47 1 1 0 0 0 | + | 46 47 1 1 0 0 0 |
| − | 48 47 1 1 0 0 0 | + | 48 47 1 1 0 0 0 |
| − | 49 48 1 1 0 0 0 | + | 49 48 1 1 0 0 0 |
| − | 49 50 1 0 0 0 0 | + | 49 50 1 0 0 0 0 |
| − | 50 45 1 0 0 0 0 | + | 50 45 1 0 0 0 0 |
| − | 48 51 1 0 0 0 0 | + | 48 51 1 0 0 0 0 |
| − | 47 52 1 0 0 0 0 | + | 47 52 1 0 0 0 0 |
| − | 45 53 1 0 0 0 0 | + | 45 53 1 0 0 0 0 |
| − | 49 33 1 0 0 0 0 | + | 49 33 1 0 0 0 0 |
| − | 54 55 1 0 0 0 0 | + | 54 55 1 0 0 0 0 |
| − | 55 56 2 0 0 0 0 | + | 55 56 2 0 0 0 0 |
| − | 55 57 1 0 0 0 0 | + | 55 57 1 0 0 0 0 |
| − | 57 58 2 0 0 0 0 | + | 57 58 2 0 0 0 0 |
| − | 58 59 1 0 0 0 0 | + | 58 59 1 0 0 0 0 |
| − | 59 60 2 0 0 0 0 | + | 59 60 2 0 0 0 0 |
| − | 60 61 1 0 0 0 0 | + | 60 61 1 0 0 0 0 |
| − | 61 62 2 0 0 0 0 | + | 61 62 2 0 0 0 0 |
| − | 62 63 1 0 0 0 0 | + | 62 63 1 0 0 0 0 |
| − | 63 64 2 0 0 0 0 | + | 63 64 2 0 0 0 0 |
| − | 64 59 1 0 0 0 0 | + | 64 59 1 0 0 0 0 |
| − | 62 65 1 0 0 0 0 | + | 62 65 1 0 0 0 0 |
| − | 54 46 1 0 0 0 0 | + | 54 46 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAGGL0050 | + | ID FL7AAGGL0050 |
| − | FORMULA C42H47O23 | + | FORMULA C42H47O23 |
| − | EXACTMASS 919.25081281 | + | EXACTMASS 919.25081281 |
| − | AVERAGEMASS 919.8087800000001 | + | AVERAGEMASS 919.8087800000001 |
| − | SMILES C(=Cc(c7)ccc(O)c7)C(OC(C(O)6)C(OC(C(O)6)OCC(O1)C(O)C(C(C1Oc(c3c(c5)cc(c(c(O)5)O)O)cc(c2OC(C4O)OC(C(C(O)4)O)CO)c([o+1]3)cc(c2)O)O)O)C)=O | + | SMILES C(=Cc(c7)ccc(O)c7)C(OC(C(O)6)C(OC(C(O)6)OCC(O1)C(O)C(C(C1Oc(c3c(c5)cc(c(c(O)5)O)O)cc(c2OC(C4O)OC(C(C(O)4)O)CO)c([o+1]3)cc(c2)O)O)O)C)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
65 71 0 0 0 0 0 0 0 0999 V2000
-1.4722 3.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.0433 3.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.6712 2.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3857 3.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3857 3.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6712 4.3121 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
2.1622 4.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8767 3.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5911 4.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5911 5.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8767 5.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1622 5.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2313 5.5425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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39 40 1 0 0 0 0
40 41 1 0 0 0 0
34 42 1 0 0 0 0
35 43 1 0 0 0 0
36 44 1 0 0 0 0
37 20 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 1 0 0 0
48 47 1 1 0 0 0
49 48 1 1 0 0 0
49 50 1 0 0 0 0
50 45 1 0 0 0 0
48 51 1 0 0 0 0
47 52 1 0 0 0 0
45 53 1 0 0 0 0
49 33 1 0 0 0 0
54 55 1 0 0 0 0
55 56 2 0 0 0 0
55 57 1 0 0 0 0
57 58 2 0 0 0 0
58 59 1 0 0 0 0
59 60 2 0 0 0 0
60 61 1 0 0 0 0
61 62 2 0 0 0 0
62 63 1 0 0 0 0
63 64 2 0 0 0 0
64 59 1 0 0 0 0
62 65 1 0 0 0 0
54 46 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAGGL0050
FORMULA C42H47O23
EXACTMASS 919.25081281
AVERAGEMASS 919.8087800000001
SMILES C(=Cc(c7)ccc(O)c7)C(OC(C(O)6)C(OC(C(O)6)OCC(O1)C(O)C(C(C1Oc(c3c(c5)cc(c(c(O)5)O)O)cc(c2OC(C4O)OC(C(C(O)4)O)CO)c([o+1]3)cc(c2)O)O)O)C)=O
M END
